1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine

C16H17FN2O — CID 114522070

IUPAC1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC2CC2)c1)c1ccncc1F
InChIInChI=1S/C16H17FN2O/c1-18-16(14-7-8-19-10-15(14)17)11-3-2-4-13(9-11)20-12-5-6-12/h2-4,7-10,12,16,18H,5-6H2,1H3
InChIKeyBFSRWTYGHRNJKR-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.07
Rot. Bonds5

About 1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine

1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine (PubChem CID 114522070) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
PubChem CID114522070
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC2CC2)c1)c1ccncc1F
InChIInChI=1S/C16H17FN2O/c1-18-16(14-7-8-19-10-15(14)17)11-3-2-4-13(9-11)20-12-5-6-12/h2-4,7-10,12,16,18H,5-6H2,1H3
InChIKeyBFSRWTYGHRNJKR-UHFFFAOYSA-N
XLogP3.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropyloxyphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105066138
1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105188536
1-(3-cyclopropyloxyphenyl)-N-methyl-1-pyrimidin-4-ylmethanamine
CID 114521712
1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 114521568
1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine
CID 105051704
1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine
CID 106858802
N-[(3-cyclopropyloxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 114521537
1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 114025401
(3-cyclopropyloxyphenyl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066137
1-(3-cyclopropyloxyphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 114521648
1-(3-cyclopropyloxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105188667
1-(3-fluorophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065221

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine (CID 114522070) is 1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine is CNC(c1cccc(OC2CC2)c1)c1ccncc1F.
What is the InChIKey of 1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine?
The InChIKey is BFSRWTYGHRNJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-18-16(14-7-8-19-10-15(14)17)11-3-2-4-13(9-11)20-12-5-6-12/h2-4,7-10,12,16,18H,5-6H2,1H3.
What are the key properties of 1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine?
1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine has a molecular weight of 272.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 114522070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).